#!/bin/bash

calj_gmx_template=/home/cocktail/wanghan/study/optimal.control/n.butane/test.systems/inwater.gromos.45a3.tab.bd.newGamma
calj_tool_dir=/home/cocktail/wanghan/study/optimal.control/n.butane/tools
calj_init_conf=/home/cocktail/wanghan/study/optimal.control/n.butane/results/init.confs.-30to30

calj_tab_bin=0.1
calj_stat_bin=15

calj_init_dih_k=5.92
calj_init_dih_phi=0.0
calj_init_dih_n=3
calj_init_j_k=3.0
calj_init_j_phi=0.0
calj_init_j_tab=./table.j.init.xvg

calj_num_iter=10
calj_num_branch=10
calj_dt=0.001
calj_f=1.0
#calj_xi=1.0

calj_traj_length=100
calj_frame_feq=0.001
calj_log_feq=0.1
calj_ener_feq=0.1

calj_gamma=800
calj_meta_low=165
calj_meta_up=-165
calj_grad_angle_dx=0.0001
